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433920-87-7 | 3-METHOXY-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE
CAS No: 433920-87-7 Catalog No: AG00744T MDL No:
Product Description
Catalog Number:
AG00744T
Chemical Name:
3-METHOXY-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE
CAS Number:
433920-87-7
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
3-methoxy-4-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C11H10N2O2/c1-15-11-7-9(8-14)3-4-10(11)13-6-2-5-12-13/h2-8H,1H3
InChI Key:
BVVQCIMSMJVSPL-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1n1cccn1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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